3-(2-methylpropyl)-3aH-indole

C12H15N — CID 145266337

IUPAC3-(2-methylpropyl)-3aH-indole
SMILESCC(C)CC1=CN=C2C=CC=CC12
InChIInChI=1S/C12H15N/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12/h3-6,8-9,11H,7H2,1-2H3
InChIKeyYQUQBBWXGXPQMT-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.11
Rot. Bonds2

About 3-(2-methylpropyl)-3aH-indole

3-(2-methylpropyl)-3aH-indole (PubChem CID 145266337) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(2-methylpropyl)-3aH-indole.

Molecular Properties

Compound Name3-(2-methylpropyl)-3aH-indole
PubChem CID145266337
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-(2-methylpropyl)-3aH-indole
SMILESCC(C)CC1=CN=C2C=CC=CC12
InChIInChI=1S/C12H15N/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12/h3-6,8-9,11H,7H2,1-2H3
InChIKeyYQUQBBWXGXPQMT-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-3aH-indole?
The IUPAC name of 3-(2-methylpropyl)-3aH-indole (CID 145266337) is 3-(2-methylpropyl)-3aH-indole.
What is the SMILES notation for 3-(2-methylpropyl)-3aH-indole?
The canonical SMILES for 3-(2-methylpropyl)-3aH-indole is CC(C)CC1=CN=C2C=CC=CC12.
What is the InChIKey of 3-(2-methylpropyl)-3aH-indole?
The InChIKey is YQUQBBWXGXPQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12/h3-6,8-9,11H,7H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-3aH-indole?
3-(2-methylpropyl)-3aH-indole has a molecular weight of 173.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-3aH-indole is sourced from PubChem (CID 145266337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).